SCHEMBL10493530

SCHEMBL10493530

O=C(O)c1ccc(OCCOc2ccc(C(=O)O)c(Cc3ccccc3)c2)cc1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
PTPN1 P18031 3/20 0.49
PTPN2 P17706 1/20 0.49
PTPN6 P29350 1/20 0.49
MCL1 Q07820 1/20 0.48
BCL2A1 Q16548 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
PTPN11 Q06124 1/20 0.47
SLC16A3 O15427 1/20 0.46
LTA4H P09960 2/20 0.46
MAOB P27338 1/20 0.46
NR4A2 P43354 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL542829 0.89 LTB4R (0.60) LTB4RLTB4R2MCL1ALDH1A1SLC16A3
SCHEMBL6539246 0.88 MAPK1 (0.52) LTB4RLTB4R2PTPN1PTPN2PTPN6
SCHEMBL3098374 0.84 MTNR1A (0.58) PTPN1PTPN2PTPN6TSHRALDH1A1
SCHEMBL6538645 0.84 LTB4R (0.47) LTB4RLTB4R2PTPN1PTPN2PTPN6
SCHEMBL9328907 0.83 LTB4R (0.49) LTB4RLTB4R2LTA4HMAOB
SCHEMBL2834568 0.82 KDM4E (0.54) LTB4RLTB4R2PTPN1PTPN2PTPN6
SCHEMBL22976873 0.82 TSHR (0.45) LTB4RLTB4R2PTPN1PTPN2PTPN6
SCHEMBL8062859 0.81 MAOB (0.56) MCL1ALDH1A1LTA4HMAOB
SCHEMBL8889874 0.81 KMT2A (0.53) PTPN1PTPN2PTPN6TSHRALDH1A1
SCHEMBL7322745 0.80 PARP10 (0.53) MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1036485-A None JP disclosed
JP-S6436485-A THERMOSENSITIVE RECORDING SHEET OJI PAPER CO 1989-02-07 JP disclosed
US-4772581-A IMPROVED SMOOTHNESS, OPAQUENESS AND STIFFNESS MITSUBISHI PAPER MILLS, LTD. (JP) 1988-09-20 US disclosed